[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: [3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone Openeye Name: [3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone CAS Name: [3-(1-adamantyl)-1-phenyl-4-pyrazolyl]-[4-[(1-methyl-4-pyrazolyl)sulfonyl]-1-piperazinyl]methanone IUPAC Name: [3-(1-adamantyl)-1-phenylpyrazol-4-yl]-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone Traditional Name: [3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]-[4-(1-methylpyrazol-4-yl)sulfonylpiperazino]methanone Formula: C28H34N6O3S MolecularWeight: 534.67296

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CN(N=C3C45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7

Isomeric SMILES

CN1C=C(C=N1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CN(N=C3C45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7

InChI

InChI=1S/C28H34N6O3S/c1-31-18-24(17-29-31)38(36,37)33-9-7-32(8-10-33)27(35)25-19-34(23-5-3-2-4-6-23)30-26(25)28-14-20-11-21(15-28)13-22(12-20)16-28/h2-6,17-22H,7-16H2,1H3